ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate

C11H12ClF2NO2 — CID 134674085

IUPACethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Cl)nc1C
InChIInChI=1S/C11H12ClF2NO2/c1-3-17-9(16)5-7-4-8(11(13)14)10(12)15-6(7)2/h4,11H,3,5H2,1-2H3
InChIKeyQTMGAJLWPQPVIT-UHFFFAOYSA-N
MW263.67 g/mol
LogP3.09
Rot. Bonds4

About ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate

ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate (PubChem CID 134674085) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
PubChem CID134674085
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Nameethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Cl)nc1C
InChIInChI=1S/C11H12ClF2NO2/c1-3-17-9(16)5-7-4-8(11(13)14)10(12)15-6(7)2/h4,11H,3,5H2,1-2H3
InChIKeyQTMGAJLWPQPVIT-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[6-chloro-2-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685788
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-[6-chloro-3-(difluoromethyl)-2-methyl-4-pyridinyl]acetate
CID 134685552
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673847
ethyl 2-[2-chloro-5-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674403
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate (CID 134674085) is ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(Cl)nc1C.
What is the InChIKey of ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
The InChIKey is QTMGAJLWPQPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-3-17-9(16)5-7-4-8(11(13)14)10(12)15-6(7)2/h4,11H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate has a molecular weight of 263.67 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 134674085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).